| SpectraBase Compound ID | 6NoHuDaIuVg |
|---|---|
| InChI | InChI=1S/C9H14/c1-5-7-9(3,4)8-6-2/h5H,1,7H2,2-4H3 |
| InChIKey | TVWIXYSQROHBLP-UHFFFAOYSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KQ4J1oIRXQA |
|---|---|
| Name | 4,4-Dimethylhept-1-en-5-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-5-7-9(3,4)8-6-2/h5H,1,7H2,2-4H3 |
| InChIKey | TVWIXYSQROHBLP-UHFFFAOYSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C(#CC)C(CC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954695 |